2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol

C17H15N3O2 — CID 764017

IUPAC2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1
InChIInChI=1S/C17H15N3O2/c1-22-12-7-8-13(15(21)9-12)16-14(10-19-17(18)20-16)11-5-3-2-4-6-11/h2-10,21H,1H3,(H2,18,19,20)
InChIKeySEWIHDJLXCJRJL-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol

2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol (PubChem CID 764017) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
PubChem CID764017
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1
InChIInChI=1S/C17H15N3O2/c1-22-12-7-8-13(15(21)9-12)16-14(10-19-17(18)20-16)11-5-3-2-4-6-11/h2-10,21H,1H3,(H2,18,19,20)
InChIKeySEWIHDJLXCJRJL-UHFFFAOYSA-N
XLogP3.11
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol?
The IUPAC name of 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol (CID 764017) is 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol.
What is the SMILES notation for 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol?
The canonical SMILES for 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol is COc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1.
What is the InChIKey of 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol?
The InChIKey is SEWIHDJLXCJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-12-7-8-13(15(21)9-12)16-14(10-19-17(18)20-16)11-5-3-2-4-6-11/h2-10,21H,1H3,(H2,18,19,20).
What are the key properties of 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol?
2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol has a molecular weight of 293.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol is sourced from PubChem (CID 764017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).